N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride

C17H16ClN3O3 — CID 24845741

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc2c(NCCOc3ccc4c(c3)OCO4)ncnc2c1
InChIInChI=1S/C17H15N3O3.ClH/c1-2-4-14-13(3-1)17(20-10-19-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15;/h1-6,9-10H,7-8,11H2,(H,18,19,20);1H
InChIKeyUKDXDCGXURAICO-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride (PubChem CID 24845741) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
PubChem CID24845741
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride
SMILESCl.c1ccc2c(NCCOc3ccc4c(c3)OCO4)ncnc2c1
InChIInChI=1S/C17H15N3O3.ClH/c1-2-4-14-13(3-1)17(20-10-19-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15;/h1-6,9-10H,7-8,11H2,(H,18,19,20);1H
InChIKeyUKDXDCGXURAICO-UHFFFAOYSA-N
XLogP3.27
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinoxalin-2-amine
CID 60504727
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
3-[3-(1,3-benzodioxol-5-yloxy)propyl]quinazolin-4-one
CID 60593195
2-[2-(quinazolin-4-ylamino)ethoxy]ethanol
CID 7140376
N-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 10448853
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
N-(1,3-benzodioxol-5-ylmethyl)-2-(quinazolin-4-ylamino)propanamide
CID 110436193
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-nitroaniline
CID 60504910
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442342
N-(2-phenylmethoxyethyl)quinazolin-4-amine
CID 12928829

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride (CID 24845741) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride is Cl.c1ccc2c(NCCOc3ccc4c(c3)OCO4)ncnc2c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride?
The InChIKey is UKDXDCGXURAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3.ClH/c1-2-4-14-13(3-1)17(20-10-19-14)18-7-8-21-12-5-6-15-16(9-12)23-11-22-15;/h1-6,9-10H,7-8,11H2,(H,18,19,20);1H.
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride has a molecular weight of 345.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 24845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).